4-Methylmandelic acid
TL;DR: 4-Methylmandelic acid (CAS 18584-20-8) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(4-methylphenyl)acetic acid
Also Known As: 4-Methylmandelic acid, 2-hydroxy-2-(4-methylphenyl)acetic acid, hydroxy-p-tolyl-acetic acid, 2-hydroxy-2-(p-tolyl)acetic acid, P-methyl mandelic acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06299 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | CC1=CC=C(C=C1)C(C(=O)O)O |
| InChIKey | SFGURAWGCAPHON-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylmandelic acid
Property Insights of 4-Methylmandelic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylmandelic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Methylmandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylmandelic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylmandelic acid?
The CAS number of 4-Methylmandelic acid is 18584-20-8.
What is the molecular formula of 4-Methylmandelic acid?
The molecular formula of 4-Methylmandelic acid is C9H10O3.
What is the molecular weight of 4-Methylmandelic acid?
The molecular weight of 4-Methylmandelic acid is 166.06299 g/mol.
Where can I buy 4-Methylmandelic acid?
You can request a quote for 4-Methylmandelic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylmandelic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methylmandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.